Aminotrimethylene phosphonic acid (HCID 16698)

Overview

[Nitrilotris(methylene)]trisphosphonic acid is a phosphonoacetic acid.

Names & identifiers

Preferred name: Aminotrimethylene phosphonic acid
IUPAC: [bis(phosphonomethyl)amino]methylphosphonic acid
English name: Amino tris(methylene phosphonic acid)
Molecular formula: C3H12NO9P3
Molecular weight: 299.05

Names & synonyms

6419-19-8Tris(phosphonomethyl)amineAminotrimethylene phosphonic acidFerrofos 509Dequest 2000Dowell L 37Aminotris(methanephosphonic acid)Nitrilotrimethylphosphonic acidAminotri(methylene phosphonic acid)Aminotris(methylphosphonic acid)Aminotri(methylenephosphonic acid)Aminotri(methylphosphonic acid)

Show more names

ATMPAMINO TRIMETHYLENE PHOSPHONIC ACID (ATMP)ATMPAntpoNitriLNITRILOTRI(METHYLPHOSPHONIC ACID)(nitrilo

Nitrilotrimethanephosphonic acidNitrilotrimethylenephosphonic acidAminotris(methylenephosphonic acid)Amino, tris(methylene phosphonic acid)Nitrilotrimethylenetris(phosphonic acid)NITRILOTRIS(METHYLPHOSPHONIC ACID)(Nitrilotris(methylene))trisphosphonic acidEINECS 229-146-5

Database identifiers

CAS: 20592-85-2、6419-19-8
PubChem CID: 16698
DTXSID: DTXSID2027624
ChEMBL: CHEMBL260191
ChEBI: CHEBI:168957
UNII: 1Y702GD0FG
EC Number: 229-146-5、243-900-0
Nikkaji: J56.127D

Properties

Computed structural properties

XLogP: -7.2
Topological polar surface area: 176 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 10
Rotatable bonds: 6
Heavy atoms: 16
Formal charge: 0
Complexity: 305

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Phosphate Compounds

CosmeticsChelating

SpringerMaterials PropertiesCrystal structure

LogP-3.53

Density1.33 @ 20°C

Solubility1000 mg/mL at 25 °C

Physicochemical properties

Melting point: 215 °C · ~215 °C (dec.)
Boiling point: 746.2 · 746.2±70.0 °C(Predicted)
Density: 1.3 g/mL · 1.3 g/mL at 25 °C
vapor pressure: 0 Pa · 0Pa at 25℃
storage temp.: Sealed in dry,Room Temperature
solubility: Water (Slightly, Heated)
form: Solid
pka: 0.56 · 0.56±0.10(Predicted)
color: White
PH: 0.46 · 0.46
Water Solubility: 500 g/L · 500g/L at 20℃
BRN: 1715724 · 1715724
Stability: Stable. Incompatible with bases, strong oxidizing agents.
Cosmetics Ingredients Functions: CHELATING
InChI: 1S/C3H12NO9P3/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)
InChIKey: YDONNITUKPKTIG-UHFFFAOYSA-N
SMILES: OP(O)(=O)CN(CP(O)(O)=O)CP(O)(O)=O
LogP: -3.5 · -3.5
CAS DataBase Reference: 6419 · 6419-19-8(CAS DataBase Reference)
FDA UNII: 1 Y702GD0FG · 1Y702GD0FG
EPA Substance Registry System: Aminotri(methylene phosphonic acid) (6419-19-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Warning
Hazard statements: 290 · H290
Precautionary statements: 234 · P234-P390
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,C
Risk Statements: 36 · 36-34-35
Safety Statements: 26 · 26-45-36/37/39-25-44-36
RIDADR: 3265 · 3265
WGK Germany: 1 · 1
RTECS: 9860000 · SZ9860000
F: 3 · 3-9
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29319090 · 29319090
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 · Met. Corr. 1
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 8.2% (66 of 802) of reports.

Warning

H290 (48.4%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P390, and P406 (click each P-code to see the statement)

Aggregated GHS information provided per 802 reports by companies from 29 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 96.5% (305 of 316) of all reports.

Hazard information

Regulatory Information · 6 items

Chemical: Phosphonic acid, P,Pâ²,Pâ²â²-[nitrilotris(methylene)]tris-

Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris-, sodium salt (1:?) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris-, sodium salt (1:?) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 24-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15198

Status: Active Update: 18-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14507

Aminotri(methylenephosphonic acid): Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Phosphonic acid, [nitrilotris(methylene)]tris-: Human health tier I assessment

Hazards SummaryAn eye irritant; [MSDSonline] No adverse effects reported in workers except irritation in >20 years of use; [AIHA]

EPA Safer ChemicalChemical: Aminotrimethylene phosphonic acid

Hazard Classes and Categories · 2 items

Not Classified

Met. Corr. 1 (48.4%)

Safety & protection

Protective Action Criteria (PAC) · 3 items

30 [mg/m3]

69 [mg/m3]

420 [mg/m3]

Safety data

F: 3-9
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 1
tsca: TSCA listed
rtecs: SZ9860000
ridadr: 3265
hs_code: 29319090
risk_code: 36-34-35
Signal word: Warning
Symbol(GHS): GHS05
hazard_code: Xi,C
safety_code: 26-45-36/37/39-25-44-36
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H290
REACH Registrations: Active
Hazard Classifications: Met. Corr. 1
Precautionary statements: P234-P390

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Uses & manufacturing

Uses · 2 items

Used mainly as a deflocculant and sequestrant (chelating or complexing agent) in industrial water treatment; Also used in cleaners and in stabilizers (peroxide solutions to bleach cotton, linen, jute, rayon, and paper); [CHEMINFO]

Pulp and Paper Processing [Category: Industry]

U.S. Production · 2 items

2023: 2,500,000 - <4,000,000 lb

2023: 4,000,000 - <5,500,000 lb

Consumer Uses · 2 items

Chelating agent

Industry Uses · 2 items

Lubricating agent

Cleaning agent

Household ProductsInformation on 8 consumer products that contain Aminotrimethylene Phosphonic Acid in the following categories is provided:

Use Classification · 3 items

EPA Safer Chemical Functional Use Classes -> Oxidants and Oxidant Stabilizers

Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues

Cosmetics -> Chelating

Applications · 5 items

UsesIt is used for power plants, refineries, petrochemicals, fertilizer plant cooling water, oil field injection water system,particularly suitable for hard high-calcium, low concentration multiple systems, such as power plants and high hardness high salinity, bad water quality conditions of the oil pipeline inhibitors,which may decrease the risk of corrosion and scaling of metal equipment and pipeline. In the textile printing and dyeing industry,Amino tris(methylene phosphonic acid) is used as a metal ion chelating agent, metal surface treatment agent. The above information is edited by the chemicalbook of Tian Ye.

UsesA powerful complexing agent. A potent acid sphingomyelinase inhibitor.

UsesNitrilotri(methylphosphonic acid) is a common chelating agent used in synthetic chemistry. Some of the other applications include:Preparation of hexagonal porous three-dimensional structures encapsulating a template, layered structures with intercalated templates or linear polymers.Synthesis of metal-organic frameworks in combination with uranyl nitrate.Preparation of ingredient of anticorrosive protective coatings on the steel surface.ATMP can also be employed as a scale inhibitor during squeeze treatments in oilfield operations.

UsesNitrilotris(methylene)triphosphonic acid solution was used to study the mechanism of inhibition of cement hydration by phosphonic acid.

General DescriptionNitrilotris(methylene)triphosphonic acid solution is an antiscalant and can be removed form membrane concentrates by iron-coated waste filtration sand. It is a cement retarder. It reacts with the aluminum surface to form a coating which is an effective inhibitor of the reaction of evaporated aluminum thin films on glass or silicon with deionized water.

Upstream & downstream products

Upstream raw materials

Downstream products

Chitosan

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Additional notes

DefinitionChEBI: [Nitrilotris(methylene)]trisphosphonic acid is a phosphonoacetic acid.

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Basic information